5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione

C16H19N3O3 — CID 167774874

IUPAC5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCC(O)C1C(=O)N(CCc2c[nH]c3ccccc23)C(=O)N1C
InChIInChI=1S/C16H19N3O3/c1-10(20)14-15(21)19(16(22)18(14)2)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17,20H,7-8H2,1-2H3
InChIKeyRIDDOROTNDFCHQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.35
Rot. Bonds4

About 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione

5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 167774874) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID167774874
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCC(O)C1C(=O)N(CCc2c[nH]c3ccccc23)C(=O)N1C
InChIInChI=1S/C16H19N3O3/c1-10(20)14-15(21)19(16(22)18(14)2)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17,20H,7-8H2,1-2H3
InChIKeyRIDDOROTNDFCHQ-UHFFFAOYSA-N
XLogP1.35
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
(5S)-5-benzyl-3-[2-(1H-indol-3-yl)ethyl]-2-sulfanylideneimidazolidin-4-one
CID 135010401
(3R,4S)-4-[benzyl(methyl)amino]-3-(1-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
CID 118638558
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257190
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42653008
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110209805
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
6-(1H-indol-3-yl)hexan-3-one
CID 58575746

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione (CID 167774874) is 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione is CC(O)C1C(=O)N(CCc2c[nH]c3ccccc23)C(=O)N1C.
What is the InChIKey of 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is RIDDOROTNDFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(20)14-15(21)19(16(22)18(14)2)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17,20H,7-8H2,1-2H3.
What are the key properties of 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione?
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167774874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).